5-硝基吲唑(5401-94-5)Raman光譜
InChI:InChI=1S/C7H5N3O2/c11-10(12)6-1-2-7-5(3-6)4-8-9-7/h1-4H,(H,8,9)
InChIKey: WSGURAYTCUVDQL-UHFFFAOYSA-N
Smiles:N1C2=C(C=C([N+]([O-])=O)C=C2)C=N1
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Assign. Shift(ppm)
A 13.77
B 8.844
C 8.434
D 8.209
E 7.751
J(B,D)=2.0HZ
J(D,E)=9.2HZ
Spectral Code: 1H NMR : 400 MHz in DMSO-d6
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Spectral Code: IR : KBr disc